| CAS Number | 189024-26-8 |
| Catalog Number | AG00AT5F(AGN-PC-0WOH2K) |
| Chemical Name | 2-Chloro-3,5-difluorobenzoic acid |
| IUPAC Name | 2-chloro-3,5-difluorobenzoic acid |
| InChI | InChI=1S/C7H3ClF2O2/c8-6-4(7(11)12)1-3(9)2-5(6)10/h1-2H,(H,11,12) |
| InChI Key | MDKCKPVYRHHFAL-UHFFFAOYSA-N |
| MDL Number | MFCD18415557 |
| Molecular Formula | C7H3ClF2O2 |
| Molecular Weight | 192.5473 |
| SMILES | C1=C(C=C(C(=C1C(=O)O)Cl)F)F |
| Synonyms | 2-Chloro-3,5-difluorobenzoic acid,
189024-26-8,
DTXSID20735246,
MFCD18415557,
ZINC83351217,
AKOS023798987,
CM12561,
LS11780,
AS-33117,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.546g/mol |
| Monoisotopic Mass | 191.979g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number